ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate

C17H21NO3 — CID 60889401

IUPACethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate
SMILESCCOC(=O)COc1c(C(C)NC)ccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-4-20-16(19)11-21-17-14(12(2)18-3)10-9-13-7-5-6-8-15(13)17/h5-10,12,18H,4,11H2,1-3H3
InChIKeyIJLWEEPVBATZOI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds6

About ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate

ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate (PubChem CID 60889401) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate
PubChem CID60889401
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate
SMILESCCOC(=O)COc1c(C(C)NC)ccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-4-20-16(19)11-21-17-14(12(2)18-3)10-9-13-7-5-6-8-15(13)17/h5-10,12,18H,4,11H2,1-3H3
InChIKeyIJLWEEPVBATZOI-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
CID 82926079
1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
CID 43475222
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine
CID 60888843
1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine
CID 60888647
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63368452
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate (CID 60889401) is ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate is CCOC(=O)COc1c(C(C)NC)ccc2ccccc12.
What is the InChIKey of ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate?
The InChIKey is IJLWEEPVBATZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-20-16(19)11-21-17-14(12(2)18-3)10-9-13-7-5-6-8-15(13)17/h5-10,12,18H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate?
ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate has a molecular weight of 287.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate is sourced from PubChem (CID 60889401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).